4-[[5-[[(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H23N5OS2 MolecularWeight: 473.61302

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H23N5OS2/c26-13-18-1-3-19(4-2-18)16-30-17-27-14-22(30)15-28-21-5-6-23-20(11-21)12-24(33-23)25(31)29-7-9-32-10-8-29/h1-6,11-12,14,17,28H,7-10,15-16H2